6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide

C23H20F3N3O5S — CID 66655602

IUPAC6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCS(=O)(=O)c1cc(F)c(-c2nc(C(N)=O)c(-c3cccnc3)c(C3CCC(O)CO3)c2F)c(F)c1
InChIInChI=1S/C23H20F3N3O5S/c1-35(32,33)13-7-14(24)18(15(25)8-13)21-20(26)19(16-5-4-12(30)10-34-16)17(22(29-21)23(27)31)11-3-2-6-28-9-11/h2-3,6-9,12,16,30H,4-5,10H2,1H3,(H2,27,31)
InChIKeyVWDKBCXSKGZRDT-UHFFFAOYSA-N
MW507.49 g/mol
LogP2.94
Rot. Bonds5

About 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide

6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 66655602) has the molecular formula C23H20F3N3O5S and a molecular weight of 507.49 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
PubChem CID66655602
Molecular FormulaC23H20F3N3O5S
Molecular Weight507.49 g/mol
Exact Mass507.11
IUPAC Name6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCS(=O)(=O)c1cc(F)c(-c2nc(C(N)=O)c(-c3cccnc3)c(C3CCC(O)CO3)c2F)c(F)c1
InChIInChI=1S/C23H20F3N3O5S/c1-35(32,33)13-7-14(24)18(15(25)8-13)21-20(26)19(16-5-4-12(30)10-34-16)17(22(29-21)23(27)31)11-3-2-6-28-9-11/h2-3,6-9,12,16,30H,4-5,10H2,1H3,(H2,27,31)
InChIKeyVWDKBCXSKGZRDT-UHFFFAOYSA-N
XLogP2.94
TPSA132.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (CID 66655602) is 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is CS(=O)(=O)c1cc(F)c(-c2nc(C(N)=O)c(-c3cccnc3)c(C3CCC(O)CO3)c2F)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is VWDKBCXSKGZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O5S/c1-35(32,33)13-7-14(24)18(15(25)8-13)21-20(26)19(16-5-4-12(30)10-34-16)17(22(29-21)23(27)31)11-3-2-6-28-9-11/h2-3,6-9,12,16,30H,4-5,10H2,1H3,(H2,27,31).
What are the key properties of 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 507.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 66655602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).